SCHEMBL8848409

SCHEMBL8848409

Cc1ccc(C(=O)C=Cc2cc(O)c(O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 2/20 0.77
MAPT P10636 5/20 0.63
ALDH1A1 P00352 3/20 0.63
RECQL P46063 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
MAPK1 P28482 1/20 0.63
MAOA P21397 7/20 0.60
MAOB P27338 6/20 0.60
COMT P21964 3/20 0.60
ABCC3 O15438 1/20 0.60
ABCC4 O15439 1/20 0.60
NR1I2 O75469 1/20 0.60
ABCB11 O95342 1/20 0.60
TTR P02766 1/20 0.60
NR3C1 P04150 1/20 0.60
PGR P06401 1/20 0.60
HTR1A P08908 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
RARB P10826 1/20 0.60
SLC6A2 P23975 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8848407 1.00 DBH (0.77) DBHMAPTALDH1A1RECQLTDP1
SCHEMBL8848391 0.88 DBH (0.79) DBHMAPTRECQLMAOAMAOB
SCHEMBL8848392 0.88 DBH (0.79) DBHMAPTRECQLMAOAMAOB
SCHEMBL7281446 0.87 DBH (1.00) DBHMAPTALDH1A1MAPK1MAOA
SCHEMBL7245286 0.87 DBH (1.00) DBHMAPTALDH1A1MAPK1MAOA
SCHEMBL8848343 0.86 DBH (0.72) DBHMAPTALDH1A1TDP1MAPK1
SCHEMBL8848346 0.86 DBH (0.72) DBHMAPTALDH1A1TDP1MAPK1
SCHEMBL25193191 0.86 MAPT (0.72) DBHMAPTALDH1A1RECQLTDP1
SCHEMBL25193918 0.86 MAPT (0.72) DBHMAPTALDH1A1RECQLTDP1
SCHEMBL8848314 0.82 DBH (0.78) DBHMAPTALDH1A1MAOAMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP claimed
EP-0444899-A2 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION-YHTYMÀ„ OY (FI) 1991-09-04 EP claimed
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP disclosed
US-5489614-A MEDICINAL ANTIOXIDANTS USED IN PREVENTION AND TREATMENT OF TISSUE DAMAGE INDUCED BY LIPID PEROXIDATION ORION-YHTYMA OY (FI) 1996-02-06 US disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
EP-0444899-A2 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION-YHTYMÀ„ OY (FI) 1991-09-04 EP disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 US disclosed